2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol

C42H33N3O2 — CID 171732514

IUPAC2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol
SMILESCC1(C)c2ccccc2-c2nc(-c3cn(-c4ccccc4)c(-c4cc5c(cc4O)oc4ccccc45)n3)c3ccccc3c2C1(C)C
InChIInChI=1S/C42H33N3O2/c1-41(2)32-20-12-10-19-29(32)39-37(42(41,3)4)27-17-8-9-18-28(27)38(44-39)33-24-45(25-14-6-5-7-15-25)40(43-33)31-22-30-26-16-11-13-21-35(26)47-36(30)23-34(31)46/h5-24,46H,1-4H3
InChIKeyQDOFKFFUQWPINV-UHFFFAOYSA-N
MW611.75 g/mol
LogP10.60
Rot. Bonds3

About 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol

2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol (PubChem CID 171732514) has the molecular formula C42H33N3O2 and a molecular weight of 611.75 g/mol. Its IUPAC name is 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol.

Molecular Properties

Compound Name2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol
PubChem CID171732514
Molecular FormulaC42H33N3O2
Molecular Weight611.75 g/mol
Exact Mass611.26
IUPAC Name2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol
SMILESCC1(C)c2ccccc2-c2nc(-c3cn(-c4ccccc4)c(-c4cc5c(cc4O)oc4ccccc45)n3)c3ccccc3c2C1(C)C
InChIInChI=1S/C42H33N3O2/c1-41(2)32-20-12-10-19-29(32)39-37(42(41,3)4)27-17-8-9-18-28(27)38(44-39)33-24-45(25-14-6-5-7-15-25)40(43-33)31-22-30-26-16-11-13-21-35(26)47-36(30)23-34(31)46/h5-24,46H,1-4H3
InChIKeyQDOFKFFUQWPINV-UHFFFAOYSA-N
XLogP10.60
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.75
LogP ≤ 510.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-dibenzofuran-2-yl-2-[1-[3,5-di(propan-2-yl)phenyl]-2-(8-phenyldibenzofuran-1-yl)imidazol-4-yl]-5,5,6,6-tetramethylbenzo[h]quinolin-10-ol
CID 171596731
2-[1-(2,6-diphenylphenyl)-4-(3-isoquinolin-3-ylphenyl)imidazol-2-yl]dibenzofuran-3-ol
CID 171420085
2-[1-methyl-4-(3-phenylisoquinolin-1-yl)benzimidazol-2-yl]dibenzofuran-3-ol;platinum
CID 171732550
2-dibenzofuran-3-yl-4-phenyl-6-(9,9,10,10-tetramethylphenanthren-1-yl)-1,3,5-triazine
CID 163671940
2-dibenzofuran-3-yl-3-(9,9,10,10-tetramethylphenanthren-2-yl)quinoxaline
CID 163862522
5'-(4-dibenzofuran-1-yl-6-phenylpyrimidin-2-yl)spiro[fluorene-9,11'-indeno[1,2-c]isoquinoline]
CID 166898671
11-[2-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-b]carbazole
CID 130334516
2-[1-dibenzofuran-2-yl-2-(8-phenyldibenzofuran-2-yl)imidazol-4-yl]-5,6-dihydrobenzo[h]quinolin-10-ol
CID 171596739
2-(3-dibenzofuran-4-ylphenyl)-5,5-dimethyl-4-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100083
5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole;7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 159218476
2-(3-methylphenyl)-4-phenyl-6-spiro[fluoreno[3,2-b][1]benzofuran-11,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-1,3,5-triazine
CID 134573599
2-dibenzofuran-3-yl-3-[9,9,10,10-tetramethyl-6-(3-phenylphenyl)phenanthren-2-yl]quinoxaline
CID 163805854

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol?
The IUPAC name of 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol (CID 171732514) is 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol.
What is the SMILES notation for 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol?
The canonical SMILES for 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol is CC1(C)c2ccccc2-c2nc(-c3cn(-c4ccccc4)c(-c4cc5c(cc4O)oc4ccccc45)n3)c3ccccc3c2C1(C)C.
What is the InChIKey of 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol?
The InChIKey is QDOFKFFUQWPINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H33N3O2/c1-41(2)32-20-12-10-19-29(32)39-37(42(41,3)4)27-17-8-9-18-28(27)38(44-39)33-24-45(25-14-6-5-7-15-25)40(43-33)31-22-30-26-16-11-13-21-35(26)47-36(30)23-34(31)46/h5-24,46H,1-4H3.
What are the key properties of 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol?
2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol has a molecular weight of 611.75 g/mol, XLogP of 10.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-(11,11,12,12-tetramethylbenzo[c]phenanthridin-6-yl)imidazol-2-yl]dibenzofuran-3-ol is sourced from PubChem (CID 171732514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).